CID 20044187

1525711-62-9

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

CC(C(=O)N1CCOCC1)C(=O)O

InChI

InChI=1S/C8H13NO4/c1-6(8(11)12)7(10)9-2-4-13-5-3-9/h6H,2-5H2,1H3,(H,11,12)

InChIKey

BZCQHXIZCUORBX-UHFFFAOYSA-N

Compound name

2-methyl-3-morpholin-4-yl-3-oxopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 187.08446 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.091736	140.0
[M+Na]+	210.073678	144.1
[M-H]-	186.077184	140.6
[M+NH4]+	205.118283	155.7
[M+K]+	226.047618	145.3
[M+H-H2O]+	170.081720	133.6
[M+HCOO]-	232.082661	155.1
[M+CH3COO]-	246.098311	178.0
[M+Na-2H]-	208.059126	142.6
[M]+	187.08391142	136.9
[M]-	187.08500858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe